Information card for entry 7103693

Structure parameters

• Formula: C53.25 H31 Cu4 N3 O17
• Calculated formula: C53.25 H31 Cu4 N3 O17
• Title of publication: A new 6^5^.8 topology and a distorted 6^5^.8 CdSO~4~ topology: two new supramolecular isomers of [M~2~(bdc)~2~(L)~2~]~n~ coordination polymers
• Authors of publication: Moulton, Brian; Abourahma, Heba; Bradner, Michael W.; Lu, Jianjiang; McManus, Gregory J.; Zaworotko, Michael J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1342 - 1343
• a: 10.6661 ± 0.0012 Å
• b: 30.303 ± 0.004 Å
• c: 16.365 ± 0.0019 Å
• α: 90°
• β: 95.877 ± 0.002°
• γ: 90°
• Cell volume: 5261.5 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No